N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride

C14H34Cl4N4 — CID 18770418

IUPACN,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
SMILESCN(CCN(C)C1CCNCC1)C1CCNCC1.Cl.Cl.Cl.Cl
InChIInChI=1S/C14H30N4.4ClH/c1-17(13-3-7-15-8-4-13)11-12-18(2)14-5-9-16-10-6-14;;;;/h13-16H,3-12H2,1-2H3;4*1H
InChIKeyDXGXHTMGYMBEEU-UHFFFAOYSA-N
MW400.27 g/mol
LogP2.04
Rot. Bonds5

About N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride

N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride (PubChem CID 18770418) has the molecular formula C14H34Cl4N4 and a molecular weight of 400.27 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
PubChem CID18770418
Molecular FormulaC14H34Cl4N4
Molecular Weight400.27 g/mol
Exact Mass398.15
IUPAC NameN,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
SMILESCN(CCN(C)C1CCNCC1)C1CCNCC1.Cl.Cl.Cl.Cl
InChIInChI=1S/C14H30N4.4ClH/c1-17(13-3-7-15-8-4-13)11-12-18(2)14-5-9-16-10-6-14;;;;/h13-16H,3-12H2,1-2H3;4*1H
InChIKeyDXGXHTMGYMBEEU-UHFFFAOYSA-N
XLogP2.04
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
N-methyl-N-(3-methylpentyl)piperidin-4-amine
CID 139366215
2-[methyl(piperidin-4-yl)amino]ethanesulfonamide
CID 114385433
methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
CID 120835310
butane;ethane;N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 144963014
N-methyl-N-[2-(oxan-4-yl)ethyl]piperidin-4-amine
CID 115118538
N-cyclopropyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53408558
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104565100

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride?
The IUPAC name of N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride (CID 18770418) is N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride.
What is the SMILES notation for N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride?
The canonical SMILES for N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride is CN(CCN(C)C1CCNCC1)C1CCNCC1.Cl.Cl.Cl.Cl.
What is the InChIKey of N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride?
The InChIKey is DXGXHTMGYMBEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.4ClH/c1-17(13-3-7-15-8-4-13)11-12-18(2)14-5-9-16-10-6-14;;;;/h13-16H,3-12H2,1-2H3;4*1H.
What are the key properties of N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride?
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride has a molecular weight of 400.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride is sourced from PubChem (CID 18770418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).